Details of the Drug-Related molecule(s) Interaction Atlas

General Information of Drug (ID: DM7B1VT)

• Drug Name: 3-(4-Methoxy-benzenesulfonyl)-propane-1-thiol Drug Info
• Synonyms: CHEMBL51638; 3-(4-Methoxy-benzenesulfonyl)-propane-1-thiol; SCHEMBL7076532; JIFLEYNNNKKNOQ-UHFFFAOYSA-N; BDBM50076592; 3-(4-Methoxyphenylsulfonyl)propane-1-thiol

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

• Cross-matching ID:
  PubChem CID: 18411961
  TTD Drug ID: DM7B1VT

Molecule-Related Drug Atlas

Drug(s) Targeting Matrix metalloproteinase-8 (MMP-8)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
CIPEMASTAT	DM803GL	Rheumatoid arthritis	FA20	Phase 3	[3]
GM6001	DM7V9CT	Corneal ulcer	9A76	Discontinued in Phase 2	[4]
SC-44463	DMBPNKT	N. A.	N. A.	Terminated	[5]
BB-1101	DM7GH5Z	Multiple sclerosis	8A40	Terminated	[6]
MMI270	DM38N2K	Discovery agent	N.A.	Investigative	[7]
IK-862	DMJA4UE	Discovery agent	N.A.	Investigative	[8]
2-(Biphenyl-4-ylsulfonyl)N-hydroxybenzamide	DMCNV5J	Discovery agent	N.A.	Investigative	[9]
SL422	DM3I2US	Discovery agent	N.A.	Investigative	[10]
[2-(Biphenyl-4-sulfonyl)phenyl]acetic Acid	DM37C25	Discovery agent	N.A.	Investigative	[9]
N-Hydroxy-2-(4-phenoxy-benzenesulfonyl)benzamide	DM4VADN	Discovery agent	N.A.	Investigative	[9]

Drug(s) Targeting Matrix metalloproteinase-13 (MMP-13)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Curcumin	DMQPH29	Solid tumour/cancer	2A00-2F9Z	Phase 3	[11]
Apratastat	DM8W4N9	Rheumatoid arthritis	FA20	Phase 2	[12]
PMID17935984C1	DMO1IHL	Pain	MG30-MG3Z	Clinical trial	[13]
PMID29130358-Compound-Figure18(14a)	DMHIBTZ	N. A.	N. A.	Patented	[14]
PMID29130358-Compound-Figure16(9b)	DMPAQLZ	N. A.	N. A.	Patented	[14]
PMID29130358-Compound-Figure16(9a)	DMKX5R8	N. A.	N. A.	Patented	[14]
PMID29130358-Compound-Figure18(14)	DM7WXJ9	N. A.	N. A.	Patented	[14]
PMID29130358-Compound-Figure16(9c)	DM0ZRI9	N. A.	N. A.	Patented	[14]
GM6001	DM7V9CT	Corneal ulcer	9A76	Discontinued in Phase 2	[15]
RS-130830	DMOTANY	Hepatitis C virus infection	1E51.1	Discontinued in Phase 2	[16]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Matrix metalloproteinase-13 (MMP-13)	TTHY57M	MMP13_HUMAN	Inhibitor	[1]
Matrix metalloproteinase-8 (MMP-8)	TTGA1IV	MMP8_HUMAN	Inhibitor	[2]

References

• [1] Discovery of a novel series of selective MMP inhibitors: identification of the gamma-sulfone-thiols. Bioorg Med Chem Lett. 1999 Apr 5;9(7):943-8.
• [2] Synthesis and identification of conformationally constrained selective MMP inhibitors. Bioorg Med Chem Lett. 1999 Jul 5;9(13):1757-60.
• [3] Matrix metalloproteinase inhibition lowers mortality and brain injury in experimental pneumococcal meningitis. Infect Immun. 2014 Apr;82(4):1710-8.
• [4] Hydroxamate inhibitors of human gelatinase B (92 kDa), Bioorg. Med. Chem. Lett. 5(4):349-352 (1995).
• [5] Design and synthesis of a series of (2R)-N(4)-hydroxy-2-(3-hydroxybenzyl)-N(1)- [(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]butanediamide derivati... J Med Chem. 2001 Oct 11;44(21):3347-50.
• [6] New alpha-substituted succinate-based hydroxamic acids as TNFalpha convertase inhibitors. J Med Chem. 1999 Nov 18;42(23):4890-908.
• [7] Design, synthesis, and biological evaluation of potent thiazine- and thiazepine-based matrix metalloproteinase inhibitors. J Med Chem. 1999 Nov 4;42(22):4547-62.
• [8] Discovery of gamma-lactam hydroxamic acids as selective inhibitors of tumor necrosis factor alpha converting enzyme: design, synthesis, and structu... J Med Chem. 2002 Nov 7;45(23):4954-7.
• [9] Design, synthesis, biological evaluation, and NMR studies of a new series of arylsulfones as selective and potent matrix metalloproteinase-12 inhib... J Med Chem. 2009 Oct 22;52(20):6347-61.
• [10] Design, synthesis, and structure-activity relationships of macrocyclic hydroxamic acids that inhibit tumor necrosis factor alpha release in vitro and in vivo. J Med Chem. 2001 Aug 2;44(16):2636-60.
• [11] High throughput screening of potentially selective MMP-13 exosite inhibitors utilizing a triple-helical FRET substrate. Bioorg Med Chem. 2009 Feb 1;17(3):990-1005.
• [12] Acetylenic TACE inhibitors. Part 3: Thiomorpholine sulfonamide hydroxamates. Bioorg Med Chem Lett. 2006 Mar 15;16(6):1605-9.
• [13] Potent, selective spiropyrrolidine pyrimidinetrione inhibitors of MMP-13. Bioorg Med Chem Lett. 2007 Dec 1;17(23):6529-34.
• [14] Gelatinase inhibitors: a patent review (2011-2017).Expert Opin Ther Pat. 2018 Jan;28(1):31-46.
• [15] Discovery and characterization of a novel inhibitor of matrix metalloprotease-13 that reduces cartilage damage in vivo without joint fibroplasia si... J Biol Chem. 2007 Sep 21;282(38):27781-91.
• [16] Structure-based design of potent and selective inhibitors of collagenase-3 (MMP-13). Bioorg Med Chem Lett. 2005 Feb 15;15(4):1101-6.